How to get the Volume in the simulation with periodic boundary condition?

Asked by panjinhong

Hello, everyone.

I use PeriTriaxController to have a simulation with periodic boundary condition. But I don't know how to measure the volume change. It seems a silly problem, but I need your help!

Actually, when I use a Cube with 30,000 particles to do the simulation, I can not keep the boundary's shape (I want to keep it in as a flat at each surface). Is there any way to achieve my demand?

Looking forward to your help. Thanks!

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Jan Stránský (honzik) said :
#1

Hello,

> But I don't know how to measure the volume change.

dV = refVolume - O.cell.volume # [1], absolute value
or
dV = 1.0 - O.cell.trsf.determinant() # O.cell.trsf is deformation gradient, google e.g. "deformation gradient volume change", in range [0,1]

> I can not keep the boundary's shape (I want to keep it in as a flat at each surface).

Please be more specific.
In fact, as the simulation is periodic, there is no "boundary" or "surface"..

cheers
Jan

[1] https://yade-dem.org/doc/yade.wrapper.html#yade.wrapper.Cell.volume
[2] https://yade-dem.org/doc/yade.wrapper.html#yade.wrapper.Cell.trsf

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panjinhong (pjh20000) said :
#2

Thank you, Jan.

By the second question, I mean that when I output the position of all the particle (by state.pos) and observed it in paraview, it become strange.

But I want it to like a cuboid, because I want to calculate the stress inside and the unevenness of the boundary cause lots of troubles.

Jinhong

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Jan Stránský (honzik) said :
#3

> when I output the position of all the particle (by state.pos) and observed it in paraview, it become strange.

export not b.state.pos, but O.cell.wrap(b.state.pos), see [1]. state.pos may have arbitrary value in space, likely outside the periodic cell. O.cell.wrap shifts the positions to be something like cuboid.

> But I want it to like a cuboid, because I want to calculate the stress inside and the unevenness of the boundary cause lots of troubles.

you can compute stress as getStress() [2] or PeriTriaxController.stress [3]. The "boundary" (once more, no boundary exist) is irrelevant here.

cheers
Jan

[1] https://yade-dem.org/doc/yade.wrapper.html#yade.wrapper.Cell.wrap
[2] https://yade-dem.org/doc/yade.utils.html#yade._utils.getStress
[3] https://yade-dem.org/doc/yade.wrapper.html#yade.wrapper.PeriTriaxController.stress

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panjinhong (pjh20000) said :
#4

Thank you!